Geometry & MOs

Info

ID:

215537

PubChem CID:

85084879

Reduced:

N3S3O17C43H83 (1)

Stoich.:

A3B3C17D43E83 (1)

Weight, g/mol:

1011.589922

ΔHf, kcal/mol:

-870.39

Dipole, Da:

6.82

IP(EA), eV:

 -10.22(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]-methylamino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoylamino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)NC(=O)C)C(=O)NCCCCCCCCCCCCCC

DOS

IR

Vibrations